[1-[2-[(4-ethoxyphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide

Systemtic Name: [1-[2-[(4-ethoxyphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-4-ethoxy-benzamide hydroiodide CAS Name: carbamimidothioic acid [1-[2-[[(4-ethoxyphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester hydroiodide IUPAC Name: [1-[2-[(4-ethoxybenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate hydroiodide Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-4-ethoxy-benzamide hydroiodide Formula: C20H23IN4O2S MolecularWeight: 510.39169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N.I

InChI

InChI=1S/C20H22N4O2S.HI/c1-2-26-15-9-7-14(8-10-15)19(25)23-11-12-24-13-18(27-20(21)22)16-5-3-4-6-17(16)24;/h3-10,13H,2,11-12H2,1H3,(H3,21,22)(H,23,25);1H